ethyl 3-(2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 3-(2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
ethyl 3-(2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F831-0480 |
| Compound Name: | ethyl 3-(2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C25 H22 N6 O3 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1nnc2c3cc(c4ccc(C)cc4)nn3ccn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4262 |
| logD: | 4.128 |
| logSw: | -4.2458 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.211 |
| InChI Key: | UIHDHUPIMDKGKJ-UHFFFAOYSA-N |